SCHEMBL8947150

SCHEMBL8947150

COC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
MAPT P10636 7/20 0.64
ALDH1A1 P00352 5/20 0.64
RAB9A P51151 5/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 3/20 0.54
TAAR1 Q96RJ0 1/20 0.54
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1646935 0.87 MAPT (0.67) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL8947242 0.85 KMT2A (0.67) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL12562041 0.84 MAPT (0.59) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL6487280 0.83 MAPT (0.63) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL14066860 0.82 MAPT (0.62) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL6160168 0.82 RAB9A (0.66) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL1285585 0.82 NPC1 (0.61) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL10604485 0.82 MAPT (0.64) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL12517440 0.81 MEN1 (0.74) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL8280792 0.81 ALDH1A1 (0.60) GAAMAPTALDH1A1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 GAA 224/4885MAPT 578/4885ALDH1A1 204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.